#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6p s THR 2 N 0.00 2.72 0.01 0.00 -4.23 -1.26 -4.99 115.64 107.89 1u6p s THR 2 Ca 0.00 0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.86 1u6p s THR 2 Cb 0.00 -3.21 -0.01 0.00 1.34 0.00 0.00 72.50 70.62 1u6p s THR 2 CO 0.00 0.01 -0.05 0.54 -0.54 0.00 0.00 174.62 174.58 1u6p s VAL 3 N 2.14 0.36 -0.35 2.29 0.11 -1.26 -5.12 120.40 118.57 1u6p s VAL 3 Ca 0.75 -0.37 -0.05 0.00 -2.93 0.00 0.00 61.98 59.38 1u6p s VAL 3 Cb -0.43 -0.34 0.05 0.00 -1.53 0.00 0.00 36.38 34.14 1u6p s VAL 3 CO 0.33 -0.02 0.10 -0.69 -3.33 0.00 0.00 175.10 171.50 1u6p s VAL 4 N -0.38 3.57 0.80 2.04 1.01 -1.26 -5.09 120.40 121.08 1u6p s VAL 4 Ca -0.01 -1.33 -0.11 0.00 0.00 0.00 0.00 61.98 60.52 1u6p s VAL 4 Cb -0.03 -3.09 0.07 0.00 0.00 0.00 0.00 36.38 33.33 1u6p s VAL 4 CO -0.00 -0.25 1.09 -0.55 0.00 0.00 0.00 175.10 175.38 1u6p s SER 5 N 1.49 4.33 1.41 3.32 0.15 -1.26 -4.67 113.70 118.47 1u6p s SER 5 Ca -0.01 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.18 1u6p s SER 5 Cb -0.20 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1u6p s SER 5 CO 0.01 -2.11 0.00 0.61 1.20 0.00 0.00 173.24 172.95 1u6p n GLY 6 N -1.56 2.69 3.75 9.45 0.00 -1.26 -4.78 105.19 113.48 1u6p n GLY 6 Ca 0.08 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1u6p n GLY 6 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u6p s GLN 7 N 0.00 1.86 0.00 1.61 -2.07 -1.26 -4.95 119.66 114.85 1u6p s GLN 7 Ca 0.00 1.04 0.00 0.00 -1.82 0.00 0.00 55.36 54.58 1u6p s GLN 7 Cb 0.00 -1.86 0.00 0.00 -1.09 0.00 0.00 33.01 30.06 1u6p s GLN 7 CO 0.00 -1.89 0.00 0.36 -1.32 0.00 0.00 175.29 172.44 1u6p n LYS 8 N -3.67 0.00 -3.62 9.60 2.85 -1.26 -4.87 118.16 117.19 1u6p n LYS 8 Ca 0.08 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.30 1u6p n LYS 8 Cb 0.54 -0.05 -0.04 0.00 -0.65 0.00 0.00 35.03 34.83 1u6p n LYS 8 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1u6p s GLN 9 N -1.72 0.20 0.89 -1.58 0.74 -1.26 -5.16 119.66 111.76 1u6p s GLN 9 Ca 0.00 0.02 -0.11 0.00 0.05 0.00 0.00 55.36 55.33 1u6p s GLN 9 Cb 0.00 0.09 0.13 0.00 1.10 0.00 0.00 33.01 34.33 1u6p s GLN 9 CO 0.00 -0.07 1.11 0.16 -0.55 0.00 0.00 175.29 175.94 1u6p s ASP 10 N -1.24 3.37 0.71 6.67 -4.77 -1.26 -4.97 116.67 115.19 1u6p s ASP 10 Ca 0.07 1.89 -0.15 0.00 -3.30 0.00 0.00 52.55 51.06 1u6p s ASP 10 Cb -0.01 -2.46 0.03 0.00 -1.09 0.00 0.00 42.92 39.39 1u6p s ASP 10 CO -0.05 -2.77 1.19 -0.60 0.70 0.00 0.00 175.17 173.63 1u6p s ARG 11 N -4.77 2.29 0.55 2.11 3.52 -1.26 -5.01 118.95 116.39 1u6p s ARG 11 Ca 0.64 1.68 -0.07 0.00 -0.13 0.00 0.00 55.73 57.86 1u6p s ARG 11 Cb -0.20 -1.86 -0.02 0.00 -1.56 0.00 0.00 34.95 31.31 1u6p s ARG 11 CO 0.58 -1.70 0.88 1.14 -0.81 0.00 0.00 175.30 175.39 1u6p s GLN 12 N -3.93 3.27 0.00 5.12 0.00 -1.26 -5.08 119.66 117.78 1u6p s GLN 12 Ca 0.73 0.21 0.00 0.00 -0.00 0.00 0.00 55.36 56.29 1u6p s GLN 12 Cb -0.27 -2.28 0.00 0.00 0.00 0.00 0.00 33.01 30.46 1u6p s GLN 12 CO 0.44 -0.49 0.00 0.41 0.00 0.00 0.00 175.29 175.65 1u6p n GLY 13 N -2.49 2.85 0.06 2.60 0.00 -1.26 -5.07 105.19 101.88 1u6p n GLY 13 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1u6p n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u6p n GLY 14 N 3.24 0.89 3.50 -0.02 0.00 -1.26 -5.13 105.19 106.40 1u6p n GLY 14 Ca 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 1u6p n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u6p s GLU 15 N -2.04 1.42 1.09 1.61 2.02 -1.26 -5.15 118.70 116.39 1u6p s GLU 15 Ca 0.00 -1.23 -0.16 0.00 0.02 0.00 0.00 54.97 53.60 1u6p s GLU 15 Cb 0.00 0.44 0.13 0.00 0.10 0.00 0.00 34.13 34.80 1u6p s GLU 15 CO 0.00 -0.57 0.32 0.54 0.02 0.00 0.00 175.26 175.57 1u6p n ARG 16 N -0.33 -1.47 -1.32 1.61 5.12 -1.26 -4.34 116.66 114.66 1u6p n ARG 16 Ca -0.03 -0.40 0.17 0.00 -1.93 0.00 0.00 57.85 55.66 1u6p n ARG 16 Cb 0.63 -1.85 -0.05 0.00 -1.16 0.00 0.00 32.46 30.03 1u6p n ARG 16 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1u6p n ARG 17 N -2.64 -2.70 -0.68 5.56 3.00 -1.26 -3.52 116.66 114.41 1u6p n ARG 17 Ca 0.03 1.91 -0.15 0.00 -0.01 0.00 0.00 57.85 59.62 1u6p n ARG 17 Cb 0.59 -3.29 -0.06 0.00 0.00 0.00 0.00 32.46 29.70 1u6p n ARG 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1u6p n ARG 18 N -3.95 1.70 0.00 5.56 1.85 -1.26 -4.75 116.66 115.81 1u6p n ARG 18 Ca -0.01 -1.06 0.00 0.00 -1.00 0.00 0.00 57.85 55.77 1u6p n ARG 18 Cb 0.66 -2.15 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 1u6p n ARG 18 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1u6p n SER 19 N 3.47 0.00 -1.04 2.89 2.88 -1.23 -2.10 113.62 118.49 1u6p n SER 19 Ca 0.36 0.06 0.04 0.00 -1.33 0.00 0.00 58.87 58.01 1u6p n SER 19 Cb 0.33 -0.01 0.13 0.00 -0.75 0.00 0.00 64.21 63.90 1u6p n SER 19 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1u6p n GLN 20 N -0.99 1.06 -1.50 -1.46 7.27 -1.26 -5.04 117.38 115.46 1u6p n GLN 20 Ca 0.00 -2.85 -0.33 0.00 0.07 0.00 0.00 57.00 53.89 1u6p n GLN 20 Cb 0.00 -1.03 -0.18 0.00 2.41 0.00 0.00 30.24 31.44 1u6p n GLN 20 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1u6p n LEU 21 N -0.48 -0.36 -4.76 1.69 0.00 -0.89 -4.82 117.00 107.37 1u6p n LEU 21 Ca 0.15 -0.14 -0.32 0.00 0.00 0.00 0.00 56.01 55.69 1u6p n LEU 21 Cb 0.88 -0.79 0.07 0.00 0.00 0.00 0.00 43.42 43.58 1u6p n LEU 21 CO -0.02 -1.04 0.73 -0.62 0.00 0.00 0.00 177.39 176.44 1u6p s ASP 22 N 5.51 4.79 0.00 1.96 2.15 -1.26 -4.87 116.67 124.94 1u6p s ASP 22 Ca 1.33 1.98 0.08 0.00 0.43 0.00 0.00 52.55 56.38 1u6p s ASP 22 Cb -1.07 -2.55 0.38 0.00 -0.30 0.00 0.00 42.92 39.38 1u6p s ASP 22 CO 0.51 -1.85 1.21 0.54 -0.17 0.00 0.00 175.17 175.42 1u6p n ARG 23 N -2.83 0.05 -0.82 4.34 5.12 -1.26 -1.13 116.66 120.13 1u6p n ARG 23 Ca 0.10 0.30 0.05 0.00 -1.93 0.00 0.00 57.85 56.38 1u6p n ARG 23 Cb 0.52 -1.50 0.11 0.00 -1.16 0.00 0.00 32.46 30.43 1u6p n ARG 23 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1u6p n ASP 24 N -1.42 1.34 -4.24 0.55 2.03 -1.26 -5.03 116.55 108.52 1u6p n ASP 24 Ca 0.03 -2.89 -0.32 0.00 0.52 0.00 0.00 54.79 52.13 1u6p n ASP 24 Cb 0.08 -0.39 -0.17 0.00 -0.72 0.00 0.00 41.12 39.92 1u6p n ASP 24 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1u6p s GLN 25 N -1.66 2.99 0.32 -0.67 0.74 -0.29 -1.35 119.66 119.75 1u6p s GLN 25 Ca 0.31 -0.87 -0.29 0.00 0.05 0.00 0.00 55.36 54.56 1u6p s GLN 25 Cb 0.32 -2.30 -0.11 0.00 1.10 0.00 0.00 33.01 32.02 1u6p s GLN 25 CO -0.08 0.21 1.44 0.00 -0.55 0.00 0.00 175.29 176.32 1u6p n ALA 27 N 1.20 4.69 0.04 0.00 0.00 -1.26 -2.74 120.51 122.44 1u6p n ALA 27 Ca 0.03 -2.31 0.00 0.00 0.00 0.00 0.00 53.44 51.16 1u6p n ALA 27 Cb 0.40 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1u6p n ALA 27 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1u6p n TYR 28 N -0.29 -0.35 0.50 0.00 4.19 -1.26 -4.85 117.16 115.10 1u6p n TYR 28 Ca 0.43 0.06 0.11 0.00 3.31 0.00 0.00 57.90 61.81 1u6p n TYR 28 Cb 1.40 0.15 -0.01 0.00 0.49 0.00 0.00 39.34 41.37 1u6p n TYR 28 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1u6p n LYS 30 N -2.01 -0.10 -3.10 0.00 4.01 -1.11 -5.01 118.16 110.84 1u6p n LYS 30 Ca 0.01 0.41 -0.40 0.00 -0.51 0.00 0.00 58.31 57.82 1u6p n LYS 30 Cb 0.45 -3.97 -0.06 0.00 -0.51 0.00 0.00 35.03 30.95 1u6p n LYS 30 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1u6p s GLU 31 N -2.70 4.20 -0.05 1.97 2.02 -1.26 -4.64 118.70 118.24 1u6p s GLU 31 Ca 0.00 0.62 -0.30 0.00 0.02 0.00 0.00 54.97 55.32 1u6p s GLU 31 Cb 0.00 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.61 1u6p s GLU 31 CO 0.00 -0.28 1.05 -1.59 0.02 0.00 0.00 175.26 174.46 1u6p s LYS 32 N 2.04 4.46 0.00 1.61 -2.85 -1.26 -1.15 119.74 122.58 1u6p s LYS 32 Ca 0.29 1.49 0.00 0.00 -1.00 0.00 0.00 55.97 56.75 1u6p s LYS 32 Cb -0.16 -3.50 0.00 0.00 -2.06 0.00 0.00 37.83 32.12 1u6p s LYS 32 CO 0.10 -0.25 0.00 0.41 0.10 0.00 0.00 175.35 175.71 1u6p n GLY 33 N 3.09 3.55 3.78 0.59 0.00 -0.45 -4.96 105.19 110.78 1u6p n GLY 33 Ca 0.08 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 1u6p n GLY 33 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1u6p s HIS 34 N 0.00 2.91 0.41 1.61 -3.43 -1.25 -4.97 115.29 110.56 1u6p s HIS 34 Ca 0.00 -0.22 0.02 0.00 -0.80 0.00 0.00 55.06 54.05 1u6p s HIS 34 Cb 0.00 -1.49 -0.01 0.00 -1.43 0.00 0.00 32.58 29.65 1u6p s HIS 34 CO 0.00 0.43 0.61 -1.58 -2.00 0.00 0.00 174.74 172.20 1u6p s TRP 35 N -2.26 3.26 0.30 0.38 0.52 -1.26 -2.87 118.94 117.00 1u6p s TRP 35 Ca 0.35 0.16 -0.01 0.00 0.02 0.00 0.00 56.10 56.63 1u6p s TRP 35 Cb -0.06 -2.17 0.49 0.00 -1.15 0.00 0.00 33.47 30.58 1u6p s TRP 35 CO 0.24 -0.19 1.95 0.00 0.02 0.00 0.00 176.95 178.96 1u6p h ALA 36 N 0.57 1.47 0.00 0.98 0.00 -1.91 0.56 119.26 120.93 1u6p h ALA 36 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1u6p h ALA 36 Cb 1.25 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1u6p h ALA 36 CO 0.57 0.45 0.00 1.63 0.00 0.00 0.00 179.25 181.90 1u6p n LYS 37 N -4.44 0.12 -0.55 0.00 4.76 -1.26 -1.33 118.16 115.46 1u6p n LYS 37 Ca 0.11 0.20 0.06 0.00 -2.87 0.00 0.00 58.31 55.81 1u6p n LYS 37 Cb 0.10 -1.50 0.10 0.00 -1.84 0.00 0.00 35.03 31.90 1u6p n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1u6p n ASP 38 N -1.36 1.39 -4.72 4.39 2.03 0.18 -5.05 116.55 113.41 1u6p n ASP 38 Ca 0.05 -2.83 -0.42 0.00 0.52 0.00 0.00 54.79 52.11 1u6p n ASP 38 Cb 0.12 -0.38 -0.03 0.00 -0.72 0.00 0.00 41.12 40.11 1u6p n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u6p n PRO 40 N 3.73 0.75 0.05 0.00 -0.04 -1.26 -2.19 135.00 136.03 1u6p n PRO 40 Ca 0.08 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.58 1u6p n PRO 40 Cb 0.46 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1u6p n PRO 40 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1u6p n LYS 41 N -0.93 0.62 -1.71 0.54 4.81 -1.26 -4.84 118.16 115.40 1u6p n LYS 41 Ca 0.15 0.17 -0.43 0.00 -0.87 0.00 0.00 58.31 57.34 1u6p n LYS 41 Cb 0.07 -1.80 -0.03 0.00 0.02 0.00 0.00 35.03 33.29 1u6p n LYS 41 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1u6p s LYS 42 N -3.07 3.29 -0.04 1.64 1.02 -0.93 -4.87 119.74 116.77 1u6p s LYS 42 Ca -0.03 1.96 -0.07 0.00 0.02 0.00 0.00 55.97 57.85 1u6p s LYS 42 Cb 0.09 -4.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.05 1u6p s LYS 42 CO 0.81 -1.92 0.36 -1.00 -0.92 0.00 0.00 175.35 172.68 1u6p h PRO 43 N 14.07 -0.25 0.00 -1.68 0.13 -1.89 -3.47 132.00 138.91 1u6p h PRO 43 Ca -0.40 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1u6p h PRO 43 Cb 1.22 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1u6p h PRO 43 CO 0.97 -0.16 0.00 2.89 -0.23 0.00 0.00 178.00 181.47 1u6p n ARG 44 N -4.21 0.00 -0.40 0.86 1.85 -1.26 -5.17 116.66 108.33 1u6p n ARG 44 Ca -0.03 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.55 1u6p n ARG 44 Cb 0.10 0.00 0.24 0.00 -1.05 0.00 0.00 32.46 31.75 1u6p n ARG 44 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1u6p n GLY 45 N 0.00 -3.05 0.15 2.89 0.00 -1.26 -4.53 105.19 99.39 1u6p n GLY 45 Ca 0.00 -1.27 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 1u6p n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u6p h PRO 46 N -3.06 -0.27 -3.77 1.61 0.13 -2.04 -3.52 132.00 121.08 1u6p h PRO 46 Ca -0.41 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1u6p h PRO 46 Cb 1.18 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1u6p h PRO 46 CO 0.28 -0.05 -0.80 -2.13 -0.23 0.00 0.00 178.00 175.07 1u6p n ARG 47 N -4.96 -4.67 -0.94 0.86 3.00 -1.26 -4.98 116.66 103.71 1u6p n ARG 47 Ca -0.05 3.39 0.03 0.00 -0.00 0.00 0.00 57.85 61.22 1u6p n ARG 47 Cb 0.18 -3.56 -0.01 0.00 0.00 0.00 0.00 32.46 29.06 1u6p n ARG 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1u6p n GLY 48 N 1.53 -3.46 3.22 5.14 0.00 -1.26 -4.97 105.19 105.39 1u6p n GLY 48 Ca 0.00 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 1u6p n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u6p n PRO 49 N -2.49 -1.98 -2.19 1.61 -0.04 -1.26 -5.02 135.00 123.63 1u6p n PRO 49 Ca -0.01 -1.66 -0.34 0.00 -0.04 0.00 0.00 63.50 61.44 1u6p n PRO 49 Cb 0.33 -1.31 0.01 0.00 -0.04 0.00 0.00 33.50 32.48 1u6p n PRO 49 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1u6p s ARG 50 N -5.36 3.30 0.27 0.54 3.03 -1.26 -5.04 118.95 114.43 1u6p s ARG 50 Ca 0.64 1.53 -0.05 0.00 2.03 0.00 0.00 55.73 59.88 1u6p s ARG 50 Cb -0.04 -2.01 0.06 0.00 -1.03 0.00 0.00 34.95 31.94 1u6p s ARG 50 CO 0.47 -0.88 0.30 -0.35 -1.13 0.00 0.00 175.30 173.71 1u6p n PRO 51 N -1.50 -0.91 -3.18 3.89 -0.04 -1.26 -5.06 135.00 126.94 1u6p n PRO 51 Ca 0.11 -0.47 -0.26 0.00 -0.04 0.00 0.00 63.50 62.84 1u6p n PRO 51 Cb 0.51 -0.37 -0.01 0.00 -0.04 0.00 0.00 33.50 33.59 1u6p n PRO 51 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1u6p s GLN 52 N -3.66 3.54 1.23 0.54 0.74 -1.26 -5.08 119.66 115.71 1u6p s GLN 52 Ca 0.18 -0.11 -0.15 0.00 0.05 0.00 0.00 55.36 55.33 1u6p s GLN 52 Cb -0.01 -2.58 0.31 0.00 1.10 0.00 0.00 33.01 31.83 1u6p s GLN 52 CO 0.13 0.07 1.00 0.95 -0.55 0.00 0.00 175.29 176.90 1u6p s THR 53 N -2.37 1.83 -0.18 -0.34 -4.23 -1.26 -5.06 115.64 104.03 1u6p s THR 53 Ca 0.43 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.85 1u6p s THR 53 Cb -0.10 -2.07 0.07 0.00 1.34 0.00 0.00 72.50 71.74 1u6p s THR 53 CO 0.37 0.00 0.43 -0.55 -0.54 0.00 0.00 174.62 174.33 1u6p s SER 54 N -2.66 -0.47 0.37 3.99 0.15 -1.26 -5.15 113.70 108.66 1u6p s SER 54 Ca 0.69 0.95 -0.20 0.00 0.70 0.00 0.00 55.95 58.08 1u6p s SER 54 Cb -0.22 0.95 -0.10 0.00 -1.71 0.00 0.00 66.02 64.93 1u6p s SER 54 CO 0.63 -0.21 0.88 -0.76 1.20 0.00 0.00 173.24 174.99 1u6p s LEU 55 N 1.72 4.06 0.00 3.45 2.01 -1.26 -5.32 118.68 123.34 1u6p s LEU 55 Ca -0.08 1.59 0.00 0.00 0.01 0.00 0.00 54.13 55.66 1u6p s LEU 55 Cb -0.09 -4.28 0.00 0.00 0.01 0.00 0.00 46.19 41.83 1u6p s LEU 55 CO -0.13 -0.25 0.00 -0.11 1.01 0.00 0.00 176.35 176.87